SCHEMBL10249039

SCHEMBL10249039

CC[S+]([O-])c1cnccc1-c1nc2cc(C)cnc2n1C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.35
AKT1 P31749 2/20 0.34
AKT2 P31751 2/20 0.34
BRD4 O60885 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
RPS6KA5 O75582 3/20 0.32
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
HSD17B10 Q99714 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16803693 0.91 PDE10A (0.35) PDE10AAKT1AKT2BRD4SMN1; SMN2
SCHEMBL10249243 0.87 POLB (0.35) PDE10AAKT1AKT2BRD4SMN1; SMN2
SCHEMBL116987 0.86 POLB (0.42) PDE10ASMN1; SMN2POLB
SCHEMBL15412909 0.86 BRD4 (0.38) PDE10AAKT1AKT2BRD4KDM4E
SCHEMBL15426454 0.83 AKT1 (0.32) PDE10AAKT1AKT2BRD4SMN1; SMN2
SCHEMBL15426383 0.83 GRIN1 (0.33) PDE10AAKT1AKT2BRD4
SCHEMBL15426389 0.83 TNKS (0.35) PDE10AAKT1AKT2BRD4KDM4E
SCHEMBL10249069 0.83 SMN1; SMN2 (0.41) PDE10ASMN1; SMN2POLBRPS6KA5KDM4E
SCHEMBL15426412 0.81 POLB (0.36) PDE10AAKT1AKT2BRD4POLB
SCHEMBL15426460 0.81 AKT1 (0.31) AKT1AKT2BRD4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461181-B2 Fused heterocyclic compound and use thereof SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2013-06-11 US disclosed
US-8273764-B2 Fused heterocyclic compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-25 US disclosed
US-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED 2012-07-12 US disclosed
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 PDE10A 4112/4885AKT1 1153/4885AKT2 2245/4885
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 PDE10A 4112/4885AKT1 1153/4885AKT2 2245/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.